5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one

C18H24ClN3O3 — CID 15485774

IUPAC5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
SMILESCOCC(COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C18H24ClN3O3/c1-11-6-12(2)16(13(3)7-11)21-17-18(23)22(8-15(19)20-17)14(9-24-4)10-25-5/h6-8,14H,9-10H2,1-5H3,(H,20,21)
InChIKeyGLWMICMMPDZWDR-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.40
Rot. Bonds7

About 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one

5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one (PubChem CID 15485774) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
PubChem CID15485774
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
SMILESCOCC(COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C18H24ClN3O3/c1-11-6-12(2)16(13(3)7-11)21-17-18(23)22(8-15(19)20-17)14(9-24-4)10-25-5/h6-8,14H,9-10H2,1-5H3,(H,20,21)
InChIKeyGLWMICMMPDZWDR-UHFFFAOYSA-N
XLogP3.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 22004330
5-bromo-1-(1,3-dimethoxypropan-2-yl)-3-[4-(fluoromethoxy)-2,6-dimethylanilino]pyrazin-2-one
CID 56961969
5-bromo-1-(1,3-dimethoxypropan-2-yl)-3-(4-hydroxy-2,5-dimethylanilino)pyrazin-2-one
CID 71608502
3-chloro-4-[[6-chloro-4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-3-oxopyrazin-2-yl]amino]-5-methylbenzonitrile
CID 71580313
6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 139568782
N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide
CID 167276508
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
CID 44596810
5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one
CID 69357149
[(2R)-2-[5-chloro-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-2-oxopyrazin-1-yl]-2-cyclopropylethyl] N-butylcarbamate
CID 67160352
5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one
CID 69358094
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-5-(2,6-dichloro-4-methoxyanilino)-3-methyl-1,2,4-triazin-6-one
CID 46891389
4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
CID 59052845

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The IUPAC name of 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one (CID 15485774) is 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The canonical SMILES for 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one is COCC(COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O.
What is the InChIKey of 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The InChIKey is GLWMICMMPDZWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-11-6-12(2)16(13(3)7-11)21-17-18(23)22(8-15(19)20-17)14(9-24-4)10-25-5/h6-8,14H,9-10H2,1-5H3,(H,20,21).
What are the key properties of 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one?
5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one has a molecular weight of 365.86 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one is sourced from PubChem (CID 15485774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).